2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine

C18H36N2 — CID 64941493

IUPAC2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine
SMILESCCC1CCC(N2CC(CC)(CC)NCC2CC)C1C
InChIInChI=1S/C18H36N2/c1-6-15-10-11-17(14(15)5)20-13-18(8-3,9-4)19-12-16(20)7-2/h14-17,19H,6-13H2,1-5H3
InChIKeyUCICSPYVSQOCLR-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds5

About 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine

2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine (PubChem CID 64941493) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine
PubChem CID64941493
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine
SMILESCCC1CCC(N2CC(CC)(CC)NCC2CC)C1C
InChIInChI=1S/C18H36N2/c1-6-15-10-11-17(14(15)5)20-13-18(8-3,9-4)19-12-16(20)7-2/h14-17,19H,6-13H2,1-5H3
InChIKeyUCICSPYVSQOCLR-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine?
The IUPAC name of 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine (CID 64941493) is 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine?
The canonical SMILES for 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine is CCC1CCC(N2CC(CC)(CC)NCC2CC)C1C.
What is the InChIKey of 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine?
The InChIKey is UCICSPYVSQOCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-15-10-11-17(14(15)5)20-13-18(8-3,9-4)19-12-16(20)7-2/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine?
2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine is sourced from PubChem (CID 64941493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).